SCHEMBL14036231

SCHEMBL14036231

OC(P)(P)Cc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 1/20 0.61
HIF1A Q16665 1/20 0.61
FDPS P14324 6/20 0.59
BTN3A1 O00481 1/20 0.59
PDE3A Q14432 1/20 0.59
CHRNA7 P36544 1/20 0.52
KCNA5 P22460 1/20 0.51
NAPRT Q6XQN6 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15516269 0.80 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL14980355 0.77 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL26628880 0.77 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL11240731 0.77 FDPS (0.59) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL11559809 0.76 FDPS (0.57) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL11806774 0.76 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL74145 0.75 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL11231844 0.75 FDPS (0.61) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL31358573 0.75 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL29582746 0.75 FDPS (0.61) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014160729-A1 COMPOSITION AND METHOD FOR TREATING CANCER CELLWORKS RESEARCH INDIA PVT. LTD (IN) 2014-10-02 WO disclosed
US-20140274967-A1 Polyisoprenyl derivatives and uses thereof COYOTE PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS CYP1A2 3850/4885CYP3A4 2952/4885CYP2C9 2368/4885
US-20140274967-A1 Polyisoprenyl derivatives and uses thereof PHOSPHO1, GGPS1, PPIP5K2 CYP1A2 2079/4885CYP3A4 875/4885CYP2C9 1186/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.